868540-16-3,MFCD28137654
Catalog No.:AA00GU18

868540-16-3 | (S)-2-((S)-4-Methyl-2-((S)-2-(2-morpholinoacetamido)-4-phenylbutanamido)pentanamido)-3-phenylpropanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
25mg
98%
in stock  
$107.00   $75.00
- +
100mg
97%
in stock  
$173.00   $121.00
- +
250mg
97%
in stock  
$243.00   $170.00
- +
1g
97%
in stock  
$776.00   $543.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00GU18
Chemical Name:
(S)-2-((S)-4-Methyl-2-((S)-2-(2-morpholinoacetamido)-4-phenylbutanamido)pentanamido)-3-phenylpropanoic acid
CAS Number:
868540-16-3
Molecular Formula:
C31H42N4O6
Molecular Weight:
566.6884
MDL Number:
MFCD28137654
SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC(=O)[C@@H](NC(=O)CN1CCOCC1)CCc1ccccc1)C
Properties
Computed Properties
 
Complexity:
835  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0  
Rotatable Bond Count:
15  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.3  

Downstream Synthesis Route
868540-16-3    247068-84-4   
carfilzomib 

[1]Patent:US2005/245435,2005,A1.Locationinpatent:Page/Pagecolumn31-32

[1]Patent:US2005/245435,2005,A1.Locationinpatent:Page/Pagecolumn31-32

[2]Patent:WO2016/185450,2016,A1.Locationinpatent:Page/Pagecolumn64

[3]JournalofMedicinalChemistry,2019,vol.62,p.4444-4455

868540-16-3   
(2R,4S)-4-((tert-butoxycarbonyl)amino)-2-hydroxy-2,6-dimethyl-3-oxoheptyl3-(prop-2-yn-1-yloxy)propane-1-sulfonate 
  1541172-80-8 

[1]Patent:WO2014/11695,2014,A2.Locationinpatent:Page/Pagecolumn196

868540-16-3   
(S)-2-amino-4-methyl-1-((R)-2-methyloxiran-2-yl)pentan-1-onetrifluoroaceticacidsalt 
 
(x)C6H8O7*C40H57N5O7 

[1]Patent:KR2015/131405,2015,A

868540-16-3   
(S)-2-amino-4-methyl-1-((R)-2-methyloxiran-2-yl)pentan-1-onetrifluoroaceticacidsalt 
 
carfilzomib 

[1]Patent:KR2015/131405,2015,A.Locationinpatent:Paragraph0511-0513

[2]Patent:WO2016/170544,2016,A1.Locationinpatent:Page/Pagecolumn39

[3]Patent:WO2016/185450,2016,A1.Locationinpatent:Page/Pagecolumn69

[4]Patent:WO2016/185450,2016,A1

Literature
Quotation Request
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Additional Info:
SDS
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Tags:868540-16-3 Molecular Formula|868540-16-3 MDL|868540-16-3 SMILES|868540-16-3 (S)-2-((S)-4-Methyl-2-((S)-2-(2-morpholinoacetamido)-4-phenylbutanamido)pentanamido)-3-phenylpropanoic acid
Catalog No.: AA00GU18
868540-16-3,MFCD28137654
868540-16-3 | (S)-2-((S)-4-Methyl-2-((S)-2-(2-morpholinoacetamido)-4-phenylbutanamido)pentanamido)-3-phenylpropanoic acid
Pack Size: 25mg
Purity: 98%
in stock
$107.00 $75.00
Pack Size: 100mg
Purity: 97%
in stock
$173.00 $121.00
Pack Size: 250mg
Purity: 97%
in stock
$243.00 $170.00
Pack Size: 1g
Purity: 97%
in stock
$776.00 $543.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00GU18
Chemical Name: (S)-2-((S)-4-Methyl-2-((S)-2-(2-morpholinoacetamido)-4-phenylbutanamido)pentanamido)-3-phenylpropanoic acid
CAS Number: 868540-16-3
Molecular Formula: C31H42N4O6
Molecular Weight: 566.6884
MDL Number: MFCD28137654
SMILES: CC(C[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC(=O)[C@@H](NC(=O)CN1CCOCC1)CCc1ccccc1)C
Properties
Complexity: 835  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 3  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 41  
Hydrogen Bond Acceptor Count: 7  
Hydrogen Bond Donor Count: 4  
Isotope Atom Count: 0  
Rotatable Bond Count: 15  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.3  
Downstream Synthesis Route
868540-16-3    247068-84-4   
carfilzomib 

[1]Patent:US2005/245435,2005,A1.Locationinpatent:Page/Pagecolumn31-32

875309-92-5    868540-16-3 

[1]Patent:US2005/245435,2005,A1.Locationinpatent:Page/Pagecolumn31-32

[2]Patent:WO2016/185450,2016,A1.Locationinpatent:Page/Pagecolumn64

[3]JournalofMedicinalChemistry,2019,vol.62,p.4444-4455

868540-16-3   
(2R,4S)-4-((tert-butoxycarbonyl)amino)-2-hydroxy-2,6-dimethyl-3-oxoheptyl3-(prop-2-yn-1-yloxy)propane-1-sulfonate 
  1541172-80-8 

[1]Patent:WO2014/11695,2014,A2.Locationinpatent:Page/Pagecolumn196

868540-16-3   
(S)-2-amino-4-methyl-1-((R)-2-methyloxiran-2-yl)pentan-1-onetrifluoroaceticacidsalt 
 
(x)C6H8O7*C40H57N5O7 

[1]Patent:KR2015/131405,2015,A

868540-16-3   
(S)-2-amino-4-methyl-1-((R)-2-methyloxiran-2-yl)pentan-1-onetrifluoroaceticacidsalt 
 
carfilzomib 

[1]Patent:KR2015/131405,2015,A.Locationinpatent:Paragraph0511-0513

[2]Patent:WO2016/170544,2016,A1.Locationinpatent:Page/Pagecolumn39

[3]Patent:WO2016/185450,2016,A1.Locationinpatent:Page/Pagecolumn69

[4]Patent:WO2016/185450,2016,A1

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